[3-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-[(methylthio)methyl]phenyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-[(methylthio)methyl]phenyl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2/c1-28-14-15-5-4-6-16(13-15)19(23)20-9-11-21(12-10-20)29(26,27)18-8-3-2-7-17(18)22(24)25/h2-8,13H,9-12,14H2,1H3